Chemical Compound

(4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19S,22R)-22-amino-16-(2-amino-2-oxo-ethyl)-7-[(1R)-1-hydroxyethyl]-10,19-bis(hydroxymethyl)-13-isobutyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-5-[[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S,2R)-1-[[(1S)-2-[(2S)-2-[[(1S)-1-[[(1S,2R)-1-[[(1S)-3-amino-1-[[(1S,2R)-1-[[2-[[(1S)-2-[[2-[[(1S,2R)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-2-hydroxy-propyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-1-[(4-hyd

CAS Registry Number 171052-37-2
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(4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19S,22R)-22-amino-16-(2-amino-2-oxo-ethyl)-7-[(1R)-1-hydroxyethyl]-10,19-bis(hydroxymethyl)-13-isobutyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-5-[[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S,2R)-1-[[(1S)-2-[(2S)-2-[[(1S)-1-[[(1S,2R)-1-[[(1S)-3-amino-1-[[(1S,2R)-1-[[2-[[(1S)-2-[[2-[[(1S,2R)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-2-hydroxy-propyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-1-[(4-hyd 结构式
Primary record

(4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19S,22R)-22-amino-16-(2-amino-2-oxo-ethyl)-7-[(1R)-1-hydroxyethyl]-10,19-bis(hydroxymethyl)-13-isobutyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-5-[[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S,2R)-1-[[(1S)-2-[(2S)-2-[[(1S)-1-[[(1S,2R)-1-[[(1S)-3-amino-1-[[(1S,2R)-1-[[2-[[(1S)-2-[[2-[[(1S,2R)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-2-hydroxy-propyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-1-[(4-hyd

库存
2,641 克
纯度
98.4 %
CAS
171052-37-2

化合物标识与属性

CAS
171052-37-2
PubChem CID
172873498
SMILES
C[C@H]([C@H]1C(=N[C@@H](CSSC[C@@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N1)O)CO)O)CC(C)C)O)CC(=N)O)O)CO)O)N)C(=N[C@@H](C(C)C)C(=N[C@@H](CC(C)C)C(=NCC(=N[C@@H](CCCCN)C(=N[C@@H](CC(C)C)C(=N[C@@H](CO)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CCC(=O)O)C(=N[C@@H](CC(C)C)C(=N[C@@H](CC2=CN=CN2)C(=N[C@@H](CCCCN)C(=N[C@@H](CC(C)C)C(=N[C@@H](CCC(=N)O)C(=N[C@@H]([C@@H](C)O)C(=N[C@@H](CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=N[C@@H](CCCNC(=N)N)C(=N[C@@H]([C@@H](C)O)C(=N[C@@H](CC(=N)O)C(=N[C@@H]([C@@H](C)O)C(=NCC(=N[C@@H](CO)C(=NCC(=N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O.C(=O)(C(F)(F)F)O
Canonical SMILES
CC(C)C[C@H](N=C(O)[C@H](CCCCN)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)[C@@H]1CSSC[C@H](N)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CO)C(O)=N[C@@H]([C@@H](C)O)C(O)=N1)C(C)C)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@H](C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CO)C(O)=NCC(O)=N[C@H](C(=O)N1CCC[C@H]1C(=N)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O.O=C(O)C(F)(F)F

名称与同义词

  • C147H241F3N44O50S2
  • PD207604
  • (4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19S,22R)-22-amino-16-(2-amino-2-oxo-ethyl)-7-[(1R)-1-hydroxyethyl]-10,19-bis(hydroxymethyl)-13-isobutyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-5-[[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-4-amino-1-[[(1S,2R)-1-[[(1S)-2-[(2S)-2-[[(1S)-1-[[(1S,2R)-1-[[(1S)-3-amino-1-[[(1S,2R)-1-[[2-[[(1S)-2-[[2-[[(1S,2R)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-2-hydroxy-propyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-1-[(4-hyd
  • 171052-37-2
  • N/A